[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine

C12H14F3N — CID 117330254

IUPAC[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESCc1cccc(C(F)(F)F)c1C1(CN)CC1
InChIInChI=1S/C12H14F3N/c1-8-3-2-4-9(12(13,14)15)10(8)11(7-16)5-6-11/h2-4H,5-7,16H2,1H3
InChIKeyFOXGTDPWDWPKQV-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.00
Rot. Bonds2

About [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine

[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine (PubChem CID 117330254) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine
PubChem CID117330254
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESCc1cccc(C(F)(F)F)c1C1(CN)CC1
InChIInChI=1S/C12H14F3N/c1-8-3-2-4-9(12(13,14)15)10(8)11(7-16)5-6-11/h2-4H,5-7,16H2,1H3
InChIKeyFOXGTDPWDWPKQV-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine (CID 117330254) is [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine is Cc1cccc(C(F)(F)F)c1C1(CN)CC1.
What is the InChIKey of [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The InChIKey is FOXGTDPWDWPKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8-3-2-4-9(12(13,14)15)10(8)11(7-16)5-6-11/h2-4H,5-7,16H2,1H3.
What are the key properties of [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine has a molecular weight of 229.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117330254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).